(17α)-17-Hydroxy-3-Methoxy-19-Norpregna-1,3,5(10)-Triene-21-Nitrile

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Properties Simple | Detailed

Formula C21H27NO2
IUPAC Name 2-[(8r,9s,13s,14s,17r)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]acetonitrile
Molecular Mass 325.445 g·mol−1
Heat of Formation -294.5 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 411.01 Å 3
Surface Area 340.62 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 17alpha-cyanomethyl-estradiol-3-methyl ether
  • 17alpha-cyanomethylestra-1,3,5(10)-triene-3,17-diol 3-methyl ether
  • 17alpha-cyanomethylestradiol 3-methyl ether
  • 19-norpregna-1,3,5(10)-triene-21-nitrile, 17-hydroxy-3-methoxy-, (17alpha)-
  • 2-[(8r,9s,13s,14s,17r)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]acetonitrile
  • 2-[(8r,9s,13s,14s,17r)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]ethanenitrile
  • cmeme
CAS Number(s)
  • 24284-84-2
InChIKey VWOJRCBNKPNYOG-CRSSMBPESA-N
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